4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol

C14H19N3O3 — CID 43547176

IUPAC4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNc2c(C)n[nH]c2C)cc(OC)c1O
InChIInChI=1S/C14H19N3O3/c1-8-13(9(2)17-16-8)15-7-10-5-11(19-3)14(18)12(6-10)20-4/h5-6,15,18H,7H2,1-4H3,(H,16,17)
InChIKeyOEGRNJWPYPWYKB-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.36
Rot. Bonds5

About 4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol

4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol (PubChem CID 43547176) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
PubChem CID43547176
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNc2c(C)n[nH]c2C)cc(OC)c1O
InChIInChI=1S/C14H19N3O3/c1-8-13(9(2)17-16-8)15-7-10-5-11(19-3)14(18)12(6-10)20-4/h5-6,15,18H,7H2,1-4H3,(H,16,17)
InChIKeyOEGRNJWPYPWYKB-UHFFFAOYSA-N
XLogP2.36
TPSA79.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547207
5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol
CID 43547406
N-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 54905308
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 43402634
4-[(2-chloro-6-methylanilino)methyl]-2,6-dimethoxyphenol
CID 66253798
2,6-dimethoxy-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 79042152
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547419
4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol
CID 107700768
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-4-methylphenol
CID 63326681
2,6-dimethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110927517
4-[(2,2-dimethylhydrazinyl)methyl]-2,6-dimethoxyphenol
CID 83002999
N-(1H-indol-5-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 102909486

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol (CID 43547176) is 4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol is COc1cc(CNc2c(C)n[nH]c2C)cc(OC)c1O.
What is the InChIKey of 4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol?
The InChIKey is OEGRNJWPYPWYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8-13(9(2)17-16-8)15-7-10-5-11(19-3)14(18)12(6-10)20-4/h5-6,15,18H,7H2,1-4H3,(H,16,17).
What are the key properties of 4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol?
4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol has a molecular weight of 277.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 43547176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).